[CPMD-list] Gaussian Core

[EG Kim]

Dear List Subscribers,

I wonder if there's a simple way to write the Gaussian core electron density
into DENSITY along with the usual valence electron density (without modifying
the code!).  I am trying to use a new grid-based Bader analysis program
(developed by G. Henkelman at UT Austin).  For the program to work correctly, I
need the charge density maxima (whether real or not) at the atomic centers.  I
am using the latest version of CPMD (3.11).  Thank you very much for reading.

Regards,

EG Kim